Reactive Blue 4
TL;DR: Reactive Blue 4 (CAS 1833-57-4) is a chemical compound with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulfonic acid
Also Known As: Reactive Blue 4, Acid Blue 129, 1-Amino-9,10-dihydro-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulphonic acid, 1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulfonic acid, 1-AMINO-9,10-DIOXO-4-[(2,4,6-TRIMETHYLPHENYL)AMINO]-9,10-DIHYDROANTHRACENE-2-SULFONIC ACID
| Molecular Formula | C23H20N2O5S |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.10928 |
| Heavy Atoms | 31 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 1833-57-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C |
| InChIKey | YKHGPGKCMQFZSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Reactive Blue 4 (CAS 1833-57-4), with molecular formula C23H20N2O5S and molecular weight 436.11 g/mol. IUPAC: 1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulfonic acid.
Chemical Property Profile of Reactive Blue 4
Property Insights of Reactive Blue 4
The XLogP value of 4.7 indicates that Reactive Blue 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Reactive Blue 4. Following Lipinski's Rule of Five, Reactive Blue 4 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Reactive Blue 4?
The CAS number of Reactive Blue 4 is 1833-57-4.
What is the molecular formula of Reactive Blue 4?
The molecular formula of Reactive Blue 4 is C23H20N2O5S.
What is the molecular weight of Reactive Blue 4?
The molecular weight of Reactive Blue 4 is 436.11 g/mol.
Where can I buy Reactive Blue 4?
You can request a quote for Reactive Blue 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reactive Blue 4?
Yes, KEHONG BIO provides custom synthesis services for Reactive Blue 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.